Publications of Biswajit Santra

Journal Article

Santra, Biswajit, Jiří Klimeš, Alexandre Tkatchenko, Dario Alfé, Ben Slater, Angelos Michaelides, Roberto Car and Matthias Scheffler: On the Accuracy of van der Waals Inclusive Density-Functional Theory Exchange-Correlation Functionals for Ice at Ambient and High Pressures.

MPG.PuRe

2012

Journal Article

Liu, Wei, Javier Carrasco, Biswajit Santra, Angelos Michaelides, Matthias Scheffler and Alexandre Tkatchenko: Benzene adsorbed on metals: Concerted effect of covalency and van der Waals bonding.

MPG.PuRe

2011

Journal Article

Carrasco, Javier, Biswajit Santra, Jiri Klimes and Angelos Michaelides: To Wet or Not to Wet? Dispersion Forces Tip the Balance for Water Ice on Metal.

MPG.PuRe

Journal Article

Santra, Biswajit, Jiri Klimes, Dario Alfè, Alexandre Tkatchenko, Ben Slater, Angelos Michaelides, Roberto Car and Matthias Scheffler: Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High Pressures.

MPG.PuRe

2009

Journal Article

Santra, Biswajit, Angelos Michaelides and Matthias Scheffler: Coupled cluster benchmarks of water monomers and dimers extracted from density-functional theory liquid water: The importance of monomer deformations.

MPG.PuRe

2008

Journal Article

Santra, Biswajit, Angelos Michaelides, Martin Fuchs, Alexandre Tkatchenko, Claudia Filippi and Matthias Scheffler: On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters. II. The water hexamer and van der Waals interactions.

MPG.PuRe

2007

Journal Article

Santra, Biswajit, Angelos Michaelides and Matthias Scheffler: On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: Benchmarks approaching the complete basis set limit.

MPG.PuRe